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Related Concept Videos

Atomic Nuclei: Nuclear Spin01:08

Atomic Nuclei: Nuclear Spin

All atomic particles possess an intrinsic angular momentum, or 'spin'. Electrons, protons, and neutrons each have a spin value of ½, although protons and neutrons in nuclei may have higher half-integer spins owing to energetic factors.
Atomic nuclei have a net nuclear spin, , which can have an integer or half-integer value. In atomic nuclei, the spins of protons are paired against each other but not with neutrons, and vice versa. Consequently, an even number of protons does not contribute to...
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of one, the...
Atomic Nuclei: Magnetic Resonance01:05

Atomic Nuclei: Magnetic Resonance

The number of nuclear spins aligned in the lower energy state is slightly greater than those in the higher energy state. In the presence of an external magnetic field, as the spins precess at the Larmor frequency, the excess population results in a net magnetization oriented along the z axis. When a pulse or a short burst of radio waves at the Larmor frequency is applied along the x axis, the coupling of frequencies causes resonance and flips the nuclear spins of the excess population from the...
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved in...
¹H NMR Signal Multiplicity: Splitting Patterns01:13

¹H NMR Signal Multiplicity: Splitting Patterns

When protons A and X are coupled, their nuclear spin energy levels are slightly modified. This is because the energy required to excite proton A to a spin state parallel to proton X is slightly different from the energy required for it to become anti-parallel to spin X. Consequently, there are two possible excitation frequencies for A (A1 and A2), depending on the spin state of X, and vice versa. The mutual nature of coupling implies that the difference between frequencies A1 and A2, indicated...
Other Nuclides: 31P, 19F, 15N NMR01:16

Other Nuclides: 31P, 19F, 15N NMR

Many organic, inorganic, and biological molecules contain spin-half nuclei such as nitrogen-15, fluorine-19, and phosphorus-31. As a result, NMR studies of these nuclei have found extensive applications in chemical and biological research.
While fluorine-19 and phosphorous-31 have high natural abundances (100%) and positive gyromagnetic ratios, nitrogen-15 has a low natural abundance and a negative gyromagnetic ratio. However, nitrogen-15 is still preferred over nitrogen-14 (which has a high...

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Updated: Jul 16, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on: September 17, 2017

NMR heteronuclear correlation between quadrupolar nuclei in solids.

Dinu Iuga1, Claudia Morais, Zhehong Gan

  • 1CRMHT-CNRS, 1D Avenue de la Recherche Scientifique, 45071 Orléans Cedex 2, France.

Journal of the American Chemical Society
|August 18, 2005
PubMed
Summary

This study introduces a novel solid-state NMR method for analyzing quadrupolar nuclei like aluminum-27 and oxygen-17. The enhanced technique improves sensitivity, making complex material characterization more accessible.

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Area of Science:

  • Solid-state Nuclear Magnetic Resonance (NMR) spectroscopy
  • Materials Science
  • Quantum Chemistry

Background:

  • Heteronuclear correlation experiments in solid-state NMR are crucial for materials characterization.
  • Half-integer quadrupolar nuclei (e.g., 27Al, 17O) present significant challenges due to second-order broadening.
  • Scalar J-coupling based experiments are typically low in sensitivity for these nuclei.

Purpose of the Study:

  • To develop a high-resolution heteronuclear NMR correlation experiment for solid-state quadrupolar nuclei.
  • To enhance the sensitivity of these experiments, particularly at high magnetic fields.
  • To apply the developed method for detailed characterization of materials like calcium aluminate glass.

Main Methods:

  • Utilizing scalar J-coupling for heteronuclear correlation between 27Al and 17O.
  • Implementing signal enhancement techniques to dramatically improve sensitivity.
  • Performing experiments at high magnetic fields, leveraging field-dependent sensitivity gains.

Main Results:

  • Demonstrated the feasibility of acquiring high-resolution solid-state NMR correlation spectra for 27Al and 17O.
  • Achieved significant sensitivity improvements, making the experiment a practical tool.
  • Successfully characterized a calcium aluminate glass, identifying tricluster mu3 oxygen sites and bonded aluminum sites.

Conclusions:

  • The developed NMR technique provides a powerful new tool for solid-state NMR spectroscopy of quadrupolar nuclei.
  • This method enables detailed structural analysis of various materials, including glasses and framework materials.
  • Broad applications are envisioned for diverse materials containing quadrupolar nuclei pairs.